Abstract
Abstract The structure of ions and ion pairs of Meisenheimer and Janovsky σ-complexes of 1,3,5-trinitrobenzene has been studied by derivative spectroscopy and semiempirical quantum chemical PM3 and CNDO/S methods. On the base of comparison of theoretical and experimental electronic absorption spectra the three types of co-ordination of anion and cation have been defined. It was established that the structure of ion pairs is determined by the nature of the substituents of the pyramidal unit.
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